5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

C10H10FN3S2 — CID 659622

IUPAC5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyRVDXIJIAKMLTCW-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.69
Rot. Bonds4

About 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 659622) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID659622
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyRVDXIJIAKMLTCW-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 723666
1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-
CID 99285
5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 741059
5-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 778407
5-[(2-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 741058
5-Styryl-[1,3,4]thiadiazol-2-ylamine
CID 5340173
5-Benzyl-1,3,4-thiadiazol-2-amine
CID 754823
5-(((3-Bromobenzyl)thio)methyl)-1,3,4-thiadiazol-2-amine
CID 936718
5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 735097
5-{[(4-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 744068
5-{[(2-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 1868435
5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine
CID 3135848

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 659622) is 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CSCc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RVDXIJIAKMLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 659622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).